Dear users,
I simulate a boron nitride sheet and want to create a pore in this sheet. my problem is that when i create such a pore, the script gives me the error about the net charge. because number of B and N atoms that I remove are not equal.
how can i solve the problem?
Best
Viorel Chihaia
Your algorithm for pore creation must be modified in order to remove an equal number of B and N atoms, or to add some saturators (like hydrogen) in order to satisfy the system charge neutrality.
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MOHAMAD ARINAL BIN ABDUL HALIM
dear viorel
hope this could help
hopefully you can help to9 evaluate this
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